Electron and kinetic energy densities for an arbitrarily closed shell in a bare Coulomb field from s-state densities

N. H. March and R. Santamaria
Phys. Rev. A 39, 2835 – Published 1 March 1989
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Abstract

It is known from previous work that the total electron density matrix for closed-shell atoms in a bare Coulomb field is determined solely by the corresponding s-state contribution. In keeping with this philosophy, an expression is derived for the closed-shell electron density ρn(r) and kinetic energy density tn(r) in terms only of s-state components ρno(r) and tno(r) for arbitrary quantum number n. A proposal for the generalization of the present model for any central field of force is given in the Appendix.

  • Received 31 October 1988

DOI:https://doi.org/10.1103/PhysRevA.39.2835

©1989 American Physical Society

Authors & Affiliations

N. H. March and R. Santamaria

  • Theoretical Chemistry Department, University of Oxford, 5, South Parks Road, Oxford OX13UB, England

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Vol. 39, Iss. 6 — March 1989

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